SCHEMBL28773428

SCHEMBL28773428

[CH2]c1ccc(C(=O)NCCO)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MMP13 P45452 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.45
▸ FYN P06241 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GABRA5 P31644 4/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7660982 0.84 POLB (0.56) POLBHPGDHTTKDM4EMMP13
SCHEMBL1308966 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL20255504 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL12143427 0.81 KDM4E (0.72) POLBHPGDHTTKDM4EMMP13
SCHEMBL19835593 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13
SCHEMBL29127177 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13
SCHEMBL620074 0.79 POLB (0.66) POLBHPGDHTTKDM4EMMP13
SCHEMBL20037612 0.79 HCAR3 (0.58) POLBHPGDHTTKDM4EMMP13
SCHEMBL95176 0.78 POLB (0.56) POLBHPGDHTTKDM4EMMP13
SCHEMBL23146242 0.78 GABRA5 (0.46) KDM4ENPC1RAB9ASMN1; SMN2GABRA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 — — CN claimed
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 — — CN disclosed
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